* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    243     474
    1     0 S   NP   _N1_     1    29.26784    93.45182   -24.02956
    2     1 S   H    _HN1     2     1.02828    25.30098  -173.01913
    3     1 S   H    _H1_     3     1.02783   109.90462   -83.06787
    4     1 S   H    _H2_     4     1.02952    82.87367    23.92347
    5     1 S   CT   _CA1     5     1.50116   128.10766   134.29790
    6     5 S   HC   _HA1     6     1.09573   105.20173    80.53533
    7     5 S   CO3  _C1_     7     1.53783   112.45766   -39.69342
    8     7 S   O2Z  _O11     8     1.26370   115.00494   -42.46335
    9     7 S   O2Z  _O12     9     1.26240   114.93867   136.66157
   10     5 S   CT   _CB1    10     1.53062   107.40751  -161.49890
   11    10 S   HC   HB11    11     1.09840   109.35299   -49.94254
   12    10 S   HC   HB12    12     1.09818   110.43983    66.63498
   13    10 S   CT   _CG1    13     1.53003   112.64918  -170.95930
   14    13 S   HC   HG11    14     1.09579   110.62202   -65.59180
   15    13 S   HC   HG12    15     1.09663   109.85230    53.71527
   16    13 S   C    _CD1    16     1.51735   112.12441   174.10572
   17    16 S   O    _OE1    17     1.22719   123.22069     5.55869
   18    16 S   N    _N2_    18     1.38635   111.77950  -174.48584
   19    18 S   H    _HN2    19     1.01584   119.06115     1.02144
   20    18 S   CT1  _CA2    20     1.45993   123.15887   177.78503
   21    20 S   HC   _HA2    21     1.09374   108.97390    -2.00096
   22    20 S   C    _C2_    22     1.53435   108.95182  -116.66517
   23    22 S   O    _O2_    23     1.23025   122.33070  -148.06770
   24    20 S   CT   _CB2    32     1.53056   111.87416   120.12926
   25    24 S   HC   HB21    33     1.09682   109.33281    58.23692
   26    24 S   HC   HB22    34     1.09381   111.44693   174.96184
   27    22 S   N    _N3_    24     1.38290   113.43224    40.16967
   28    27 S   H    _HN3    25     1.01607   119.50511    -5.26310
   29    24 S   S    _SG2    35     1.82957   114.46452   -60.89920
   30    27 S   CT   _CA3    26     1.45240   123.30429   174.50624
   31    30 S   HC   HA31    27     1.09561   107.82262   -55.58949
   32    30 S   HC   HA32    28     1.09541   107.66534    60.88840
   33    29 S   CT   _C23    36     1.85446   101.97111   -64.94274
   34    33 S   HC   _H3_    37     1.09439   106.90322    54.51312
   35    30 S   CO3  _C3_    29     1.52953   113.98833  -177.30848
   36    35 S   O2Z  _O31    30     1.26382   116.03967     0.56406
   37    35 S   O2Z  _O32    31     1.26417   114.43229  -179.38994
   38    33 S   CT   _C21    38     1.53988   107.39091   169.17784
   39    38 S   HC   _H49    39     1.09563   112.27901    53.38469
   40    38 S   HC   _H50    40     1.09399   110.83678   174.40101
   41    33 S   CT   _C22    43     1.54599   112.21609   -66.09101
   42    41 S   HC   _H51    44     1.09744   110.51448    54.95402
   43    38 S   OH   _O25    41     1.42497   110.03738   -67.83036
   44    43 S   HO   _H54    42     0.97233   107.13620   179.52317
   45    41 S   CO4  _C11    45     1.52602   109.28631   170.09531
   46    45 S   O    _O22    46     1.22422   124.63575    97.81873
   47    41 S   CT   _C20    84     1.53502   114.60009   -66.43293
   48    47 S   HC   _H47    85     1.09484   112.16347   -71.03902
   49    47 S   HC   _H48    86     1.09335   111.59393    51.06411
   50    45 S   OS   _O26    47     1.36692   109.83498   -81.59051
   51    47 S   OH   _O24    87     1.42537   109.01289   169.24355
   52    51 S   HO   _H53    88     0.97261   107.04395   179.42665
   53    50 S   CT   _C17    48     1.44934   117.49042  -177.85452
   54    53 S   HC   _H40    49     1.09569   107.20501    31.19456
   55    53 S   CT   _C13    50     1.56317   109.33715   -82.66756
   56    55 S   HC   _H34    51     1.09846   107.03266   150.94015
   57    55 S   HC   _H35    52     1.09773   109.90519    36.90302
   58    53 S   CT   _C16    67     1.55849   110.21074   148.78740
   59    58 S   HC   _H39    68     1.09556   109.27191   137.16012
   60    55 S   CM   _C6_    53     1.52033   117.68953   -87.39713
   61    58 S   CM   _C8_    69     1.50100   118.77335  -104.49386
   62    60 S   CM   _C4_    54     1.34867   120.62448    69.70691
   63    62 S   HC   _H28    55     1.08939   118.04353     5.00288
   64    61 S   CO4  _C9_    70     1.48702   107.70456   155.39566
   65    64 S   O    _O21    71     1.21744   127.05727   165.97098
   66    61 S   CM   _C10    73     1.33574   131.40123   -24.71692
   67    66 S   HC   _H30    74     1.08379   121.82502    -0.75251
   68    66 S   HC   _H31    75     1.08572   121.44538   179.94065
   69    60 S   CT   _C18    80     1.50687   114.58221  -108.21520
   70    69 S   HC   _H41    81     1.09572   109.63577   -58.18716
   71    69 S   HC   _H42    82     1.09112   113.83006  -177.37043
   72    69 S   HC   _H43    83     1.09360   110.98534    61.07498
   73    62 S   CT   _C12    56     1.51348   127.04651  -164.76912
   74    73 S   HC   _H32    57     1.09625   108.98153  -135.43511
   75    73 S   HC   _H33    58     1.09297   112.12392   -18.60728
   76    87 S   OS   _O23    72     1.43023   113.25336   -53.34315
   77    73 S   CT   _C14    59     1.55108   111.65320   103.73160
   78    77 S   HC   _H36    60     1.09646   110.07137  -166.66046
   79    77 S   HC   _H37    61     1.09673   108.51457    78.13180
   80    77 S   CM   _C7_    62     1.52304   111.90711   -43.57390
   81    80 S   CM   _C5_    63     1.34816   117.49966    88.40258
   82    81 S   HC   _H29    64     1.08877   116.80884     7.78200
   83    80 S   CT   _C19    76     1.49948   115.76762   -83.32237
   84    83 S   HC   _H44    77     1.09495   109.71872   -68.25218
   85    83 S   HC   _H45    78     1.09146   113.31796   171.63768
   86    83 S   HC   _H46    79     1.09408   110.75356    51.02121
   87    81 S   CT   _C15    65     1.49748   130.13435  -158.45334
   88    87 S   HC   _H38    66     1.10017   107.20379  -169.63781
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1   8   4   3  11   7   1   1  10   3   5   3
   2  10   1   1  16   8  14   5   4  14   7  10   9  12   5   8
   3   4   1   1   4   2   1   1   8   5   4   5  10   4   3   8
   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    41    42    45    46    50    47    48    49    51  
   38    39    40    43    41    42    45    47  
   36    37  
   37  
    0  
   39    40    43    44    41    42    45    47  
   40    43    44    41  
   43    44    41  
   42    45    46    50    53    47    48    49    51    52    43  
   45    46    50    47    48    49    51  
   44  
    0  
   46    50    53    54    55    58    47    48    49    51  
   50    53    47  
   48    49    51    52    50  
   49    51    52  
   51    52  
   53    54    55    56    57    60    87    58    59    61  
   52  
    0  
   54    55    56    57    60    62    81    87    88    58    59    61    64    76    66    69  
   55    56    57    60    87    58    59    61  
   56    57    60    62    63    73    87    58    59    61    69    70    71    72  
   57    60    62    58    69  
   60    62    58    69  
   59    61    64    65    76    66    67    68    60    80    81    82    87    88  
   61    64    76    66    81    87    88  
   62    63    73    74    75    77    69    70    71    72  
   64    65    76    66    67    68    81    87    88  
   63    73    74    75    77    78    79    80    69    70    71    72  
   73    74    75    77    69  
   65    76    66    67    68    81    87    88  
   76    66    87  
   67    68    76    87  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    77    78    79    80    81    83  
   75    77    78    79    80  
   77    78    79    80  
   80    81    82    87    88  
   78    79    80    81    82    87    83    84    85    86  
   79    80    81    83  
   80    81    83  
   81    82    87    88    83    84    85    86  
   82    87    88    83    84    85    86  
   87    88    83  
   84    85    86    87  
   85    86  
   86  
    0  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   320.000  1.410
   43    44   553.000  0.945
   41    42   340.000  1.090
   41    45   317.000  1.522
   41    47   268.000  1.529
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.510
   60    62   549.000  1.340
   60    69   317.000  1.510
   62    63   340.000  1.080
   62    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.510
   80    81   549.000  1.340
   80    83   317.000  1.510
   81    82   340.000  1.080
   81    87   317.000  1.510
   87    88   340.000  1.090
   87    58   268.000  1.529
   87    76   320.000  1.410
   58    59   340.000  1.090
   58    61   317.000  1.510
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    76   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   320.000  1.410
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   33    41    47    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    55.00000  108.50000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    80.00000  120.40000
   41    45    50    81.00000  111.40000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    51    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    50    53    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    50.00000  109.50000
   50    53    58    50.00000  109.50000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    70.00000  112.02700
   53    58    87    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    61    70.00000  112.02700
   55    53    54    37.50000  110.70000
   55    60    62    70.00000  124.00000
   55    60    69    65.00000  117.92700
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    62    63    35.00000  120.00000
   60    62    73    70.00000  124.00000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    72    35.00000  109.50000
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   62    73    77    70.00000  112.02700
   73    62    63    35.00000  117.00000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    70.00000  112.02700
   75    73    74    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    37.50000  110.70000
   77    80    81    70.00000  124.00000
   77    80    83    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    81    82    35.00000  120.00000
   80    81    87    70.00000  124.00000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    86    35.00000  109.50000
   81    87    88    35.00000  109.50000
   81    87    58    70.00000  112.02700
   81    87    76    85.00000  110.90400
   87    81    82    35.00000  117.00000
   87    58    59    37.50000  110.70000
   87    58    61    70.00000  112.02700
   87    76    64    83.00000  116.90000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   58    87    88    37.50000  110.70000
   58    61    64    65.00000  116.34900
   58    61    66    70.00000  124.00000
   61    58    59    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    76    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   76    87    88    35.00000  109.50000
   76    87    58    50.00000  109.50000
   76    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   83    80    81    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    60    62    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   47    41    42    37.50000  110.70000
   47    41    45    63.00000  111.10000
   47    51    52    55.00000  108.50000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    41    45    46   0.30150 -1.0 2.0
   33    41    45    50   0.36750  1.0 3.0
   33    41    47    48   0.15000  1.0 3.0
   33    41    47    49   0.15000  1.0 3.0
   33    41    47    51   0.86500  1.0 1.0
   33    41    47    51  -0.17500 -1.0 2.0
   33    41    47    51   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   34    33    41    47   0.15000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -0.95700  1.0 1.0
   38    33    41    45  -0.18200 -1.0 2.0
   38    33    41    45   0.29450  1.0 3.0
   38    33    41    47   0.56750  1.0 1.0
   38    33    41    47  -0.07550 -1.0 2.0
   38    33    41    47   0.20000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44   0.19450  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.86500  1.0 1.0
   41    33    38    43  -0.17500 -1.0 2.0
   41    33    38    43   0.20800  1.0 3.0
   41    45    50    53   1.63150  1.0 1.0
   41    45    50    53   2.92000 -1.0 2.0
   41    47    51    52  -0.11600  1.0 1.0
   41    47    51    52  -0.09450 -1.0 2.0
   41    47    51    52   0.21250  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    50   0.00000  1.0 1.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    51   0.23400  1.0 3.0
   45    41    47    48  -0.11250  1.0 3.0
   45    41    47    49  -0.11250  1.0 3.0
   45    41    47    51  -0.09450  1.0 1.0
   45    41    47    51  -1.12950 -1.0 2.0
   45    41    47    51   0.54000  1.0 3.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55  -0.25900  1.0 1.0
   45    50    53    55  -0.47000 -1.0 2.0
   45    50    53    55   0.11750  1.0 3.0
   45    50    53    58  -0.25900  1.0 1.0
   45    50    53    58  -0.47000 -1.0 2.0
   45    50    53    58   0.11750  1.0 3.0
   46    45    50    53   3.00000 -1.0 2.0
   50    53    55    56   0.23400  1.0 3.0
   50    53    55    57   0.23400  1.0 3.0
   50    53    55    60   0.61850  1.0 1.0
   50    53    55    60  -0.22750 -1.0 2.0
   50    53    55    60   0.15300  1.0 3.0
   50    53    58    87   0.62750  1.0 1.0
   50    53    58    87  -0.30950 -1.0 2.0
   50    53    58    87   0.27300  1.0 3.0
   50    53    58    59   0.23400  1.0 3.0
   50    53    58    61   0.61850  1.0 1.0
   50    53    58    61  -0.22750 -1.0 2.0
   50    53    58    61   0.15300  1.0 3.0
   53    55    60    62   0.09850  1.0 1.0
   53    55    60    62   0.15250 -1.0 2.0
   53    55    60    62  -0.50650  1.0 3.0
   53    55    60    69   0.46850  1.0 1.0
   53    55    60    69   0.08550 -1.0 2.0
   53    55    60    69   0.09800  1.0 3.0
   53    58    61    64   0.09700  1.0 1.0
   53    58    61    64   0.15600 -1.0 2.0
   53    58    61    64  -0.50800  1.0 3.0
   53    58    61    66   0.09850  1.0 1.0
   53    58    61    66   0.15250 -1.0 2.0
   53    58    61    66  -0.50650  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    60   0.15000  1.0 3.0
   54    53    58    87   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53    58    87   0.56750  1.0 1.0
   55    53    58    87  -0.07550 -1.0 2.0
   55    53    58    87   0.20000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    61   0.34400  1.0 1.0
   55    53    58    61   0.09450 -1.0 2.0
   55    53    58    61   0.11100  1.0 3.0
   55    60    62    63   7.00000 -1.0 2.0
   55    60    62    73   7.00000 -1.0 2.0
   55    60    69    70   0.34800  1.0 3.0
   55    60    69    71   0.34800  1.0 3.0
   55    60    69    72   0.34800  1.0 3.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    69   0.34800  1.0 3.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    69   0.34800  1.0 3.0
   60    62    73    74   0.00000  1.0 1.0
   60    62    73    75   0.00000  1.0 1.0
   60    62    73    77   0.09850  1.0 1.0
   60    62    73    77   0.15250 -1.0 2.0
   60    62    73    77  -0.50650  1.0 3.0
   62    60    69    70   0.00000  1.0 1.0
   62    60    69    71   0.00000  1.0 1.0
   62    60    69    72   0.00000  1.0 1.0
   62    73    77    78   0.15000  1.0 3.0
   62    73    77    79   0.15000  1.0 3.0
   62    73    77    80   0.31000  1.0 1.0
   62    73    77    80   0.14700 -1.0 2.0
   62    73    77    80   0.07550  1.0 3.0
   63    62    73    74   0.33100  1.0 3.0
   63    62    73    75   0.33100  1.0 3.0
   63    62    73    77   0.00000  1.0 1.0
   73    77    80    81   0.09850  1.0 1.0
   73    77    80    81   0.15250 -1.0 2.0
   73    77    80    81  -0.50650  1.0 3.0
   73    77    80    83   0.46850  1.0 1.0
   73    77    80    83   0.08550 -1.0 2.0
   73    77    80    83   0.09800  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   77    80    81    82   7.00000 -1.0 2.0
   77    80    81    87   7.00000 -1.0 2.0
   77    80    83    84   0.34800  1.0 3.0
   77    80    83    85   0.34800  1.0 3.0
   77    80    83    86   0.34800  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    83   0.34800  1.0 3.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    83   0.34800  1.0 3.0
   80    81    87    88   0.00000  1.0 1.0
   80    81    87    58   0.09850  1.0 1.0
   80    81    87    58   0.15250 -1.0 2.0
   80    81    87    58  -0.50650  1.0 3.0
   80    81    87    76   0.39000  1.0 1.0
   80    81    87    76  -0.05800 -1.0 2.0
   80    81    87    76  -0.55150  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   81    80    83    86   0.00000  1.0 1.0
   81    87    58    53   0.34400  1.0 1.0
   81    87    58    53   0.09450 -1.0 2.0
   81    87    58    53   0.11100  1.0 3.0
   81    87    58    59   0.15000  1.0 3.0
   81    87    58    61   0.31000  1.0 1.0
   81    87    58    61   0.14700 -1.0 2.0
   81    87    58    61   0.07550  1.0 3.0
   81    87    76    64  -0.82050  1.0 1.0
   81    87    76    64   0.00600 -1.0 2.0
   81    87    76    64   0.04400  1.0 3.0
   82    81    87    88   0.33100  1.0 3.0
   82    81    87    58   0.00000  1.0 1.0
   82    81    87    76   0.00000  1.0 1.0
   87    58   -61    64   0.09700  1.0 1.0
   87    58   -61    64   0.15600 -1.0 2.0
   87    58   -61    64  -0.50800  1.0 3.0
   87    58    61    66   0.09850  1.0 1.0
   87    58    61    66   0.15250 -1.0 2.0
   87    58    61    66  -0.50650  1.0 3.0
   88    87    58    53   0.15000  1.0 3.0
   88    87    58    59   0.15000  1.0 3.0
   88    87    58    61   0.15000  1.0 3.0
   88    87    76    64   0.08050  1.0 3.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53    55    60   0.34400  1.0 1.0
   58    53    55    60   0.09450 -1.0 2.0
   58    53    55    60   0.11100  1.0 3.0
   58    87   -76    64  -0.25900  1.0 1.0
   58    87   -76    64  -0.47000 -1.0 2.0
   58    87   -76    64   0.11750  1.0 3.0
   58    61    64    65  -0.64400  1.0 1.0
   58    61    64    65   0.26850 -1.0 2.0
   58    61   -64    76  -0.15000  1.0 1.0
   58    61   -64    76   0.89550 -1.0 2.0
   58    61   -64    76  -0.06900  1.0 3.0
   58    61    66    67   7.00000 -1.0 2.0
   58    61    66    68   7.00000 -1.0 2.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    61    66   0.00000  1.0 1.0
   61    64   -76    87   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    76    87   3.00000 -1.0 2.0
   76    87    58    53   0.62750  1.0 1.0
   76    87    58    53  -0.30950 -1.0 2.0
   76    87    58    53   0.27300  1.0 3.0
   76    87    58    59   0.23400  1.0 3.0
   76    87   -58    61   0.61850  1.0 1.0
   76    87   -58    61  -0.22750 -1.0 2.0
   76    87   -58    61   0.15300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    76  -0.56150  1.0 1.0
   66    61    64    76   2.19150 -1.0 2.0
   83    80    81    82   7.00000 -1.0 2.0
   83    80    81    87   7.00000 -1.0 2.0
   69    60    62    63   7.00000 -1.0 2.0
   69    60    62    73   7.00000 -1.0 2.0
   47    41    45    46   0.30150 -1.0 2.0
   47    41    45    50   0.36750  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   49    47    51    52   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    50    45    46  10.50000 -1.0 2.0
   55    69    60    62   1.10000 -1.0 2.0
   73    63    62    60   1.10000 -1.0 2.0
   77    83    80    81   1.10000 -1.0 2.0
   87    82    81    80   1.10000 -1.0 2.0
   58    64    61    66   1.10000 -1.0 2.0
   61    76    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
END
